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1.
Article in English | MEDLINE | ID: mdl-38652594

ABSTRACT

OBJECTIVES: The reported prevalence of mental health conditions (MHCs) in people with systemic lupus erythematosus (SLE) ranges widely. Whether MHCs are associated with increased risk of SLE or the outcomes of the disease is unclear. This paper aimed to conduct an umbrella and updated meta-analysis of MHCs in people with SLE and to identify whether MHCs are associated with the risk of SLE or patient outcomes. METHODS: We comprehensively searched PubMed, Web of Science, and Embase databases to identify relevant studies published before June 2023. Random-effect models were used to calculate the pooled prevalence and risk ratios for each MHC. RESULTS: 203 studies with 1485094 individuals were included. The most MHCs observed in patients with SLE were sleep disturbance (59.7% [95% CI, 52.4%-66.8%]) among adults and cognitive dysfunction (63.4% [95% CI, 46.9%-77.9%]) among children. We found that depressive disorders (RR = 2.30, 95% CI = 1.94-2.75) and posttraumatic stress disorder (RR = 1.93, 95% CI = 1.61-2.31) in the general population were significantly associated with an increased likelihood of developing SLE. Furthermore, concurrent MHCs were linked to unfavorable outcomes in patients with SLE, such as decreased quality of life, increased risk of unemployment, and other somatic comorbidities. CONCLUSION: Our study demonstrated a high prevalence of MHCs among patients with SLE. Individuals with pre-existing mental disorders exhibited an elevated susceptibility to developing SLE, and patients presenting with MHCs were at increased risk of experiencing suboptimal health and functional outcomes. Therefore, evaluating and preventing MHCs should be considered as an integral component of the comprehensive treatment strategy for SLE.

2.
Hortic Res ; 11(1): uhad258, 2024 Jan.
Article in English | MEDLINE | ID: mdl-38298899

ABSTRACT

Scutellaria baicalensis Georgi, also known as huang-qin in traditional Chinese medicine, is a widely used herbal remedy due to its anticancer, antivirus, and hepatoprotective properties. The S. baicalensis genome was sequenced many years ago; by contrast, the proteome as the executer of most biological processes of S. baicalensis in the aerial parts, as well as the secondary structure of the roots (xylem, phloem, and periderm), is far less comprehensively characterized. Here we attempt to depict the molecular landscape of the non-model plant S. baicalensis through a multi-omics approach, with the goal of constructing a highly informative and valuable reference dataset. Furthermore, we provide an in-depth characterization dissection to explain the two distinct flavonoid biosynthesis pathways that exist in the aerial parts and root, at the protein and phosphorylated protein levels. Our study provides detailed spatial proteomic and phosphoproteomic information in the context of secondary structures, with implications for the molecular profiling of secondary metabolite biosynthesis in non-model medicinal plants.

3.
RSC Adv ; 14(5): 2862-2872, 2024 Jan 17.
Article in English | MEDLINE | ID: mdl-38239444

ABSTRACT

Based on the excellent adsorption properties of carbon materials, a new magnetic nanodemulsifier was prepared in this study. First, carbon nanotubes were oxidized using a solvothermal method. Then, Fe3O4 was combined with oxidized carbon nanotubes using a one-pot method, and then grafted onto fluorine-containing polyether to prepare a magnetic composite demulsifier (Fe3O4@C-F) with good demulsification properties. The surface morphology of the composite demulsifier was analyzed using scanning electron microscopy (SEM). The structure of the composite demulsifier was characterized using Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectrometry (XPS). The stability of the composite demulsifier was characterized using thermogravimetric analysis (TGA). Results showed that the oxidized carbon nanotubes and fluorinated polyether were successfully attached to Fe3O4. The experimental objective was to obtain a self-made crude oil emulsion. The demulsification test and recovery performance test were then performed, and the main factors affecting the demulsification performance of the demulsifier were investigated. Results showed that when the dosage was 800 mg L-1, the temperature was 65 °C, the demulsification time was 90 min, and the pH value was 6. The demulsification effect of the Fe3O4@C-F magnetic composite demulsifier was the best, whereby the demulsification rate could reach 91.68%, and the oil-water interface was clear. Fe3O4@C-F had a magnetic response and could be recycled from the two-phase system six times under the action of an external magnetic field. Fe3O4@C-F is an efficient and environmentally friendly demulsifier that has important application value for enriching demulsification technology systems.

4.
Front Cell Infect Microbiol ; 13: 1269963, 2023.
Article in English | MEDLINE | ID: mdl-37965251

ABSTRACT

Background: Cryptosporidium infections in humans typically result in symptoms such as abdominal pain and diarrhea. When the diarrhea is severe, it can cause serious complications and even be life-threatening, especially in patients with compromised immune systems. Case presentation: Here, we reported the use of metagenomic next-generation sequencing (mNGS) to assist in the diagnosis and treatment of a 10-year-old boy with severe Cryptosporidium infection. Despite the absence of any history of immunocompromise, the infection still resulted in severe symptoms, including shock, as well as damage to his pancreas and kidneys. The mNGS tests detected the presence of Cryptosporidium parvum when conventional methods failed. The patient received anti-parasite treatment along with supportive care to manage the condition. With disease surveillance based on regular clinical tests and sequential mNGS tests, the child recovered from the severe conditions. Conclusion: Our study emphasized the importance of recognizing the potential severity of Cryptosporidium infection, even among individuals with normal immune systems. Timely diagnosis and ongoing monitoring are essential for patient prognosis.


Subject(s)
Cryptosporidiosis , Cryptosporidium , Male , Child , Humans , Cryptosporidiosis/epidemiology , Cryptosporidium/genetics , Diarrhea/diagnosis , Diarrhea/epidemiology , High-Throughput Nucleotide Sequencing , Intensive Care Units, Pediatric
5.
Gels ; 9(8)2023 Jul 26.
Article in English | MEDLINE | ID: mdl-37623061

ABSTRACT

With the continuous development of the world's aerospace industry, countries have put forward higher requirements for thermal protection materials for aerospace vehicles. As a nano porous material with ultra-low thermal conductivity, aerogel has attracted more and more attention in the thermal insulation application of aerospace vehicles. At present, the summary of aerogel used in aerospace thermal protection applications is not comprehensive. Therefore, this paper summarizes the research status of various types of aerogels for thermal protection (oxide aerogels, organic aerogels, etc.), summarizes the hot issues in the current research of various types of aerogels for thermal protection, and puts forward suggestions for the future development of various aerogels. For oxide aerogels, it is necessary to further increase their use temperature and inhibit the sintering of high-temperature resistant components. For organic aerogels, it is necessary to focus on improving the anti-ablation, thermal insulation, and mechanical properties in long-term aerobic high-temperature environments, and on this basis, find cheap raw materials to reduce costs. For carbon aerogels, it is necessary to further explore the balanced relationship between oxidation resistance, mechanics, and thermal insulation properties of materials. The purpose of this paper is to provide a reference for the further development of more efficient and reliable aerogel materials for aerospace applications in the future.

6.
Micromachines (Basel) ; 14(4)2023 Apr 21.
Article in English | MEDLINE | ID: mdl-37421129

ABSTRACT

With gate length (Lg) and gate spacing length (Ls) shrinkage, the cell-to-cell z-interference phenomenon is increasingly severe in 3D NAND charge-trap memory. It has become one of the key reliability concerns for 3D NAND cell scaling. In this work, z-interference mechanisms were investigated in the programming operation with the aid of Technology Computer-Aided Design (TCAD) and silicon data verification. It was found that the inter-cell trapped charges are one of the factors causing z-interference after cell programming, and these trapped charges can be modulated during programming. Thus, a novel program scheme is proposed to suppress the z-interference by reducing the pass voltage (Vpass) of the adjacent cells during programming. As a result, the proposed scheme suppresses the Vth shift of 40.1% for erased cells with Lg/Ls = 31/20 nm. In addition, this work further analyzes the optimization and balance of program disturbance and z-interference with the scaling of cell Lg-Ls based on the proposed scheme.

7.
Sensors (Basel) ; 23(13)2023 Jun 21.
Article in English | MEDLINE | ID: mdl-37447629

ABSTRACT

Life detection technology using ultra-wideband (UWB) radar is a non-contact, active detection technology, which can be used to search for survivors in disaster rescues. The existing multi-target detection method based on UWB radar echo signals has low accuracy and has difficulty extracting breathing and heartbeat information at the same time. Therefore, this paper proposes a new multi-target localization and vital sign detection method using ultra-wide band radar. A target recognition and localization method based on permutation entropy (PE) and K means++ clustering is proposed to determine the number and position of targets in the environment. An adaptive denoising method for vital sign extraction based on ensemble empirical mode decomposition (EEMD) and wavelet analysis (WA) is proposed to reconstruct the breathing and heartbeat signals of human targets. A heartbeat frequency extraction method based on particle swarm optimization (PSO) and stochastic resonance (SR) is proposed to detect the heartbeat frequency of human targets. Experimental results show that the PE-K means++ method can successfully recognize and locate multiple human targets in the environment, and its average relative error is 1.83%. Using the EEMD-WA method can effectively filter the clutter signal, and the average relative error of the reconstructed respiratory signal frequency is 4.27%. The average relative error of heartbeat frequency detected by the PSO-SR method was 6.23%. The multi-target localization and vital sign detection method proposed in this paper can effectively recognize all human targets in the multi-target scene and provide their accurate location and vital signs information. This provides a theoretical basis for the technical system of emergency rescue and technical support for post-disaster rescue.


Subject(s)
Radar , Signal Processing, Computer-Assisted , Humans , Algorithms , Vital Signs , Heart Rate
8.
Molecules ; 28(11)2023 Jun 03.
Article in English | MEDLINE | ID: mdl-37299009

ABSTRACT

The crystal morphology of high energetic materials plays a crucial role in aspects of their safety performance such as impact sensitivity. In order to reveal the crystal morphology of ammonium dinitramide/pyrazine-1,4-dioxide (ADN/PDO) cocrystal at different temperatures, the modified attachment energy model (MAE) was used at 298, 303, 308, and 313 K to predict the morphology of the ADN/PDO cocrystal under vacuum and ethanol. The results showed that under vacuum conditions, five growth planes of the ADN/PDO cocrystal were given, which were (1 0 0), (0 1 1), (1 1 0), (1 1 -1), and (2 0 -2). Among them, the ratios of the (1 0 0) and (0 1 1) planes were 40.744% and 26.208%, respectively. In the (0 1 1) crystal plane, the value of S was 1.513. The (0 1 1) crystal plane was more conducive to the adsorption of ethanol molecules. The order of binding energy between the ADN/PDO cocrystal and ethanol solvent was (0 1 1) > (1 1 -1) > (2 0 -2) > (1 1 0) > (1 0 0). The radial distribution function analysis revealed that there were hydrogen bonds between the ethanol and the ADN cations, van der Waals interactions with the ADN anions. As the temperature increased, the aspect ratio of the ADN/PDO cocrystal was reduced, making the crystal more spherical, which helped to further reduce the sensitivity of this explosive.


Subject(s)
Ethanol , Pyrazines , Temperature , Nitrites
9.
Plant Physiol ; 193(1): 627-642, 2023 08 31.
Article in English | MEDLINE | ID: mdl-37233029

ABSTRACT

Protecting haploid pollen and spores against UV-B light and high temperature, 2 major stresses inherent to the terrestrial environment, is critical for plant reproduction and dispersal. Here, we show flavonoids play an indispensable role in this process. First, we identified the flavanone naringenin, which serves to defend against UV-B damage, in the sporopollenin wall of all vascular plants tested. Second, we found that flavonols are present in the spore/pollen protoplasm of all euphyllophyte plants tested and that these flavonols scavenge reactive oxygen species to protect against environmental stresses, particularly heat. Genetic and biochemical analyses showed that these flavonoids are sequentially synthesized in both the tapetum and microspores during pollen ontogeny in Arabidopsis (Arabidopsis thaliana). We show that stepwise increases in the complexity of flavonoids in spores/pollen during plant evolution mirror their progressive adaptation to terrestrial environments. The close relationship between flavonoid complexity and phylogeny and its strong association with pollen survival phenotypes suggest that flavonoids played a central role in the progression of plants from aquatic environments into progressively dry land habitats.


Subject(s)
Arabidopsis , Flavonoids , Plants , Pollen/genetics , Arabidopsis/genetics , Flavonols , Spores
10.
Water Sci Technol ; 87(4): 987-997, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36853775

ABSTRACT

The single-chamber bio-electrical systems can degrade oily sludge in sediments while generating electricity from the microbial fuel cells (MFCs) and their characteristics in energy and environmental effects have attracted wide international attention in recent years. To explore the influence of the power generation period on the oily sludge bio-electrical system, an oily sludge bio-electrical system was constructed. The output voltage, polarization curve, power density curve, crude oil removal rate and microflora were detected during different power generation periods, respectively. The results of this study showed that under the stable power generation period, the power generation and oily sludge degradation performance of MFC are higher than the voltage rise period and voltage attenuation period. Besides, the oily sludge bio-electrical system during the stable period contained more electricity-producing bacteria than the other two periods. The voltage in the stable period of oily sludge bio-electrical system is about 280 mV, the electromotive force is 493.1 mV and the power density is 134.93 mW·m-3. It lays a foundation for the improvement of degradation of crude oil and power generation performance in oily sludge bio-electrical system.


Subject(s)
Petroleum , Sewage , Electricity , Climate
11.
Environ Sci Pollut Res Int ; 30(2): 3697-3706, 2023 Jan.
Article in English | MEDLINE | ID: mdl-35953747

ABSTRACT

Electricity-generating bacteria as biocatalysts for microbial fuel cells (MFCs), their species, and power generation performance determine the pollution control and power generation performance of MFCs. And there are few studies on the types and performance of electricity-generating bacteria isolated from oily sludge microbial fuel cells. For improving the power generation performance of oily sludge MFCs, an electricity-generating bacterium was isolated from the oily sludge. More importantly, the adaptability of nitrogen to phosphorus ratio, temperature, and pH of the electricity-generating bacteria were adjusted by a controlled variable method. The results of this study showed that the electricity-generating bacterium was identified as Bacillus cereus, with a rod-shaped cell, about 0.5-1.0 µm in length. The optimal nitrogen-phosphorus ratio, temperature, and pH of MFCs were 4.67:1, 25 ℃, and pH = 7, respectively. Its maximum power density, COD, and oil removal rate was up to 65 mW·m-3, 90.51%, and 87.76%, respectively. The study of this functional bacterium will provide beneficial assistance for the improvement of oil removal and power generation performance of oily sludge MFCs.


Subject(s)
Bioelectric Energy Sources , Bioelectric Energy Sources/microbiology , Sewage/microbiology , Electrodes , Electricity , Bacteria , Nitrogen
12.
Am J Transl Res ; 14(11): 7870-7879, 2022.
Article in English | MEDLINE | ID: mdl-36505308

ABSTRACT

OBJECTIVE: To explore the therapeutic effect of alternating red and blue light irradiation combined with collagen in patients with acne vulgaris and the risk factors of short-term recurrence. METHOD: A retrospective analysis was conducted on 105 patients with acne vulgaris treated in Baoji Hospital of Traditional Chinese Medicine from January 2019 to February 2020. 50 patients received conventional treatment (Pumen red and blue light) were taken as the control group, and the other 55 patients treated with collagen dressing on the basis of control group were taken as the research group. Clinical efficacy, changes of serum interleukin-1ß (IL-1ß) and interleukin-6 (IL-6) before and after treatment, and the occurrence of adverse reactions were compared between the two groups of patients. The scores of inflammatory skin lesions, facial seborrhea scores, stratum corneum water content and transepidermal water loss (TEWL) were compared before and after the treatment. The 1-year review records of patients were queried, and they were divided into a relapse group and a non-relapse group according to the recurrence situation. Logistic regression was used to analyze the risk factors affecting the recurrence of the patients. RESULTS: The clinical efficacy of the patients in research group after treatment was significantly higher than that in the control group (P<0.05). IL-1ß and IL-6 in the serum of patients after treatment were markedly decreased, and such decline in the research group was more evident after treatment (P<0.05). The incidence of adverse reactions, the scores of inflammatory skin lesions, and facial seborrhea and TEWL in the research group after treatment were all lower than those in the control group (all P<0.05), while the water content of the stratum corneum was higher comparatively (P<0.05). 17 patients were confirmed with recurrence within 1 year after treatment. Logistic regression analysis found that age, monthly income, pre-treatment IL-1ß and pre-treatment IL-6 were risk factors for recurrence. CONCLUSION: Alternating red and blue light irradiation combined with collagen can improve the treatment efficacy in patients with acne vulgaris. And indexes like age, monthly income, pre-treatment IL-1ß and pre-treatment IL-6 are risk factors affecting the recurrence of patients.

13.
ACS Omega ; 7(34): 29959-29966, 2022 Aug 30.
Article in English | MEDLINE | ID: mdl-36061740

ABSTRACT

The anode is considered to be a key factor to improve the single-chamber bioelectrochemical system's efficiency to degrade oily sludge in sediment while generating electricity. There are few studies on the effect of the anode structure on the performance of oily sludge MFCs systematically. In this paper, an oily sludge bioelectrical system was constructed using carbon felt and carbon plate as anode materials, adjusting the anode material arrangement as transverse and longitudinal, and using different anode materials from single to sextuple anodes. The results of this study showed that the rate of degradation of oily sludge was greater with carbon felt (17.04%) than with the carbon plate (13.11%), with transverse (23.61%) than with the longitudinal (19.82%) arrangement of anodes, and with sextuple anodes (33.72%) than with a single anode (25.26%) in the sediment microbial fuel cells (SMFCs). A similar trend was observed when the voltage, power density, and electromotive force (EMF) of SMFCs were estimated between the carbon felt and carbon plate, transverse and longitudinal arrangements, single and sextuple anodes. It is concluded that the proper adjustment of anode arrangements, using carbon felt as an anode material, and increasing the number of anodes to six may accelerate the rate of degradation of oily sludge in oily sludge sediment microbial fuel cells (SMFCs). Furthermore, the electricity generation performance was also improved.

14.
Sensors (Basel) ; 22(18)2022 Sep 06.
Article in English | MEDLINE | ID: mdl-36146076

ABSTRACT

As a new method to detect vital signs, Ultra-wideband (UWB) radar could continuously monitor human respiratory signs without contact. Aimed at addressing the problem of large interference and weak acquisition signal in radar echo signals from complex scenes, this paper adopts a UWB radar echo signal processing method that combines strong physical sign information extraction at P time and Variational Mode Decomposition (VMD) to carry out theoretical derivation. Using this novel processing scheme, respiration and heartbeat signals can be quickly reconstructed according to the selection of the appropriate intrinsic mode functions (IMFs), and the real-time detection accuracy of human respiratory signs is greatly improved. Based on an experimental platform, the data collected by the UWB radar module were first verified against the measured values obtained at the actual scene. The results of a validation test proved that our UWB radar echo signal processing method effectively eliminated the respiratory clutter signal and realized the accurate measurement of respiratory and heartbeat signals, which would prove the existence of life and further improve the quality of respiration and heartbeat signal and the robustness of detection.


Subject(s)
Radar , Signal Processing, Computer-Assisted , Algorithms , Heart Rate , Humans , Monitoring, Physiologic/methods , Respiratory Rate , Vital Signs
15.
Nanomaterials (Basel) ; 12(16)2022 Aug 09.
Article in English | MEDLINE | ID: mdl-36014597

ABSTRACT

Sodium borohydride (NaBH4) is considered a good candidate for hydrogen generation from hydrolysis because of its high hydrogen storage capacity (10.8 wt%) and environmentally friendly hydrolysis products. However, due to its sluggish hydrogen generation (HG) rate in the water, it usually needs an efficient catalyst to enhance the HG rate. In this work, graphene oxide (GO)-modified Co-B-P catalysts were obtained using a chemical in situ reduction method. The structure and composition of the as-prepared catalysts were characterized, and the catalytic performance for NaBH4 hydrolysis was measured as well. The results show that the as-prepared catalyst with a GO content of 75 mg (Co-B-P/75rGO) exhibited an optimal catalytic efficiency with an HG rate of 12087.8 mL min-1 g-1 at 25 °C, far better than majority of the findings that have been reported. The catalyst had a good stability with 88.9% of the initial catalytic efficiency following 10 cycles. In addition, Co-, B-, and P-modified graphene showed a synergistic effect improving the kinetics and thermodynamics of NaBH4 hydrolysis with a lower activation energy of 28.64 kJ mol-1. These results reveal that the GO-modified Co-B-P catalyst has good potential for borohydride hydrolysis applications.

16.
Nanomaterials (Basel) ; 12(15)2022 Jul 25.
Article in English | MEDLINE | ID: mdl-35893518

ABSTRACT

Sodium borohydride (NaBH4), with a high theoretical hydrogen content (10.8 wt%) and safe characteristics, has been widely employed to produce hydrogen based on hydrolysis reactions. In this work, a porous titanium oxide cage (PTOC) has been synthesized by a one-step hydrothermal method using NH2-MIL-125 as the template and L-alanine as the coordination agent. Due to the evenly distributed PtNi alloy particles with more catalytically active sites, and the synergistic effect between the PTOC and PtNi alloy particles, the PtNi/PTOC catalyst presents a high hydrogen generation rate (10,164.3 mL∙min-1∙g-1) and low activation energy (28.7 kJ∙mol-1). Furthermore, the robust porous structure of PTOC effectively suppresses the agglomeration issue; thus, the PtNi/PTOC catalyst retains 87.8% of the initial catalytic activity after eight cycles. These results indicate that the PtNi/PTOC catalyst has broad applications for the hydrolysis of borohydride.

17.
Front Plant Sci ; 13: 878693, 2022.
Article in English | MEDLINE | ID: mdl-35574127

ABSTRACT

Reconstructing the development of sporangia in seed-free vascular plants provides crucial information about key processes enabling the production of spores that are important in the life cycle of these plants. By applying fluorescence imaging in intact tissues using dyes and confocal microscopy, this study aimed to reconstruct the key steps during the development of sporangia. Special emphasis was taken on the cell wall structures of tapetum and spore mother cells that have been challenged by microscopical documentation in the past. After staining the cell wall and cytoplasm using calcofluor white and basic fuchsin, the sporangium development of Pteris multifida was observed using confocal microscopy. The clear cell lineages from the sporangial initial cell to stalk, epidermis, inner tapetum, outer tapetum, and sporogenous cells were revealed by confocal imaging. The sporangium development improved in this work will be useful for a general understanding of fern spore formation.

18.
Front Plant Sci ; 13: 833811, 2022.
Article in English | MEDLINE | ID: mdl-35463446

ABSTRACT

The unique flavonoids, quinochalcones, such as hydroxysafflor yellow A (HSYA) and carthamin, in the floret of safflower showed an excellent pharmacological effect in treating cardiocerebral vascular disease, yet the regulating mechanisms governing the flavonoid biosynthesis are largely unknown. In this study, CtACO3, the key enzyme genes required for the ethylene signaling pathway, were found positively related to the flavonoid biosynthesis at different floret development periods in safflower and has two CtACO3 transcripts, CtACO3-1 and CtACO3-2, and the latter was a splice variant of CtACO3 that lacked 5' coding sequences. The functions and underlying probable mechanisms of the two transcripts have been explored. The quantitative PCR data showed that CtACO3-1 and CtACO3-2 were predominantly expressed in the floret and increased with floret development. Subcellular localization results indicated that CtACO3-1 was localized in the cytoplasm, whereas CtACO3-2 was localized in the cytoplasm and nucleus. Furthermore, the overexpression of CtACO3-1 or CtACO3-2 in transgenic safflower lines significantly increased the accumulation of quinochalcones and flavonols. The expression of the flavonoid pathway genes showed an upward trend, with CtCHS1, CtF3H1, CtFLS1, and CtDFR1 was considerably induced in the overexpression of CtACO3-1 or CtACO3-2 lines. An interesting phenomenon for CtACO3-2 protein suppressing the transcription of CtACO3-1 might be related to the nucleus location of CtACO3-2. Yeast two-hybrid (Y2H), glutathione S-transferase (GST) pull-down, and BiFC experiments revealed that CtACO3-2 interacted with CtCSN5a. In addition, the interactions between CtCSN5a and CtCOI1, CtCOI1 and CtJAZ1, CtJAZ1 and CtbHLH3 were observed by Y2H and GST pull-down methods, respectively. The above results suggested that the CtACO3-2 promoting flavonoid accumulation might be attributed to the transcriptional activation of flavonoid biosynthesis genes by CtbHLH3, whereas the CtbHLH3 might be regulated through CtCSN5-CtCOI1-CtJAZ1 signal molecules. Our study provided a novel insight of CtACO3 affected the flavonoid biosynthesis in safflower.

19.
Molecules ; 27(6)2022 Mar 09.
Article in English | MEDLINE | ID: mdl-35335163

ABSTRACT

In order to solve the problem of demulsification difficulties in Liaohe Oilfield, 24 kinds of demulsifiers were screened by using the interface generation energy (IFE) module in the molecular dynamics simulation software Materials Studio to determine the ability of demulsifier molecules to reduce the total energy of the oil-water interface after entering the oil-water interface. Neural network analysis (NNA) and genetic function approximation (GFA) were used as technical means to predict the demulsification effect of the Liaohe crude oil demulsifier. The simulation results show that the SDJ9927 demulsifier with ethylene oxide (EO) and propylene oxide (PO) values of 21 (EO) and 44 (PO) reduced the total energy and interfacial tension of the oil-water interface to the greatest extent, and the interfacial formation energy reached -640.48 Kcal/mol. NNA predicted that the water removal amount of the SDJ9927 demulsifier was 7.21 mL, with an overall error of less than 1.83. GFA predicted that the water removal amount of the SDJ9927 demulsifier was 7.41mL, with an overall error of less than 0.9. The predicted results are consistent with the experimental screening results. SDJ9927 had the highest water removal rate and the best demulsification effect. NNA and GFA had high correlation coefficients, and their R2s were 0.802 and 0.861, respectively. The higher R2 was, the more accurate the prediction accuracy was. Finally, the demulsification mechanism of the interfacial film breaking due to the collision of fluorinated polyether demulsifiers was studied. It was found that the carbon-fluorine chain had high surface activity and high stability, which could protect the carbon-carbon bond in the demulsifier molecules to ensure that there was no re-emulsion due to the stirring external force.


Subject(s)
Molecular Dynamics Simulation , Petroleum , Emulsions/chemistry , Surface Tension , Water/chemistry
20.
Molecules ; 27(4)2022 Feb 17.
Article in English | MEDLINE | ID: mdl-35209153

ABSTRACT

The dissipative particle dynamics simulation method is adopted to investigate the microemulsion systems prepared with surfactant (H1T1), oil (O) and water (W), which are expressed by coarse-grained models. Two topologies of O/W and W/O microemulsions are simulated with various oil and water ratios. Inverse W/O microemulsion transform to O/W microemulsion by decreasing the ratio of oil-water from 3:1 to 1:3. The stability of O/W and W/O microemulsion is controlled by shear rate, inorganic salt and the temperature, and the corresponding results are analyzed by the translucent three-dimensional structure, the mean interfacial tension and end-to-end distance of H1T1. The results show that W/O microemulsion is more stable than O/W microemulsion to resist higher inorganic salt concentration, shear rate and temperature. This investigation provides a powerful tool to predict the structure and the stability of various microemulsion systems, which is of great importance to developing new multifunctional microemulsions for multiple applications.

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